Geometry & MOs

Info

ID:	166411
PubChem CID:	74685648
Reduced:	FNC10H13 (1)
Stoich.:	ABC10D13 (1)
Weight, g/mol:	508.246789
ΔH_f, kcal/mol:	-1.77
Dipole, Da:	2.04
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.118253
Charge, e:	0

Chem-info

IUPAC name:

1-[5-(diaminomethylideneazaniumyl)-2-[(3-methyl-1,2,3,4-tetrahydroquinolin-8-yl)sulfonylamino]pentanoyl]-4-methylpiperidine-2-carboxylate

Drug info:

PubChemData

Smile

C1CC1C(C2=CC=C(C=C2)F)[NH3+]

DOS

IR

Vibrations